UCSF

ZINC25150004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 8.91 -15.34 1 8 0 98 406.418 6
Hi High (pH 8-9.5) 1.40 7.12 -56.23 0 8 -1 102 405.41 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )